6-(4,4-diphenylpiperidine-1-carbonyl)piperazin-2-one

• ChemBase ID: 574558
• Molecular Formular: C22H25N3O2
• Molecular Mass: 363.4528
• Monoisotopic Mass: 363.19467706
• SMILES: C1(C(=O)N2CCC(CC2)(c2ccccc2)c2ccccc2)NC(=O)CNC1
• Canonical SMILES: O=C(C1CNCC(=O)N1)N1CCC(CC1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C22H25N3O2/c26-20-16-23-15-19(24-20)21(27)25-13-11-22(12-14-25,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19,23H,11-16H2,(H,24,26)
• InChIKey: GQTZTEQDLVEUGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4,4-diphenylpiperidine-1-carbonyl)piperazin-2-one
• IUPAC Traditional name: 6-(4,4-diphenylpiperidine-1-carbonyl)piperazin-2-one
• Synonyms: 6-[(4,4-diphenylpiperidin-1-yl)carbonyl]piperazin-2-one

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 11.231544
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.6685237
• LogD (pH = 7.4): 1.5293503
• Log P: 1.5657028
• Molar Refractivity: 114.8235 cm^3
• Polarizability: 40.822884 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 3
• H Acceptors: 3
• H Donor: 2
• Log P: 1.54
• LOG S: -3.17